Glycoside
GD138149
Name:
2-(tetradecanoyloxy)-3-{[3,4,5-trihydroxy-6-(octadecanamidomethyl)oxan-2-yl]oxy}propyl hexadecanoateFormula:
C57H109O10NSmiles:
CCCCCCCCCCCCCCCCCC(O)=NCC1OC(OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(O)=NCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 14.67 | Num_rotatable_bonds: | 50 |
| MolWt: | 968.5 | Num_heavy_atoms: | 68 |
| TPSA: | 164.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD47358
Formula: C33H64O5
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 9.62 | Num_rotatable_bonds: | 30 |
| MolWt: | 540.87 | Num_heavy_atoms: | 38 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
AD55787
Formula: C19H39ON
Smiles:
CCCCCCCCCCCCCCCCCC(O)=NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 16 |
| MolWt: | 297.53 | Num_heavy_atoms: | 21 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
